2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide

C18H20N2O5 — CID 108539863

IUPAC2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C18H20N2O5/c1-12(25-14-8-6-13(21)7-9-14)17(23)19-10-11-20-18(24)15-4-2-3-5-16(15)22/h2-9,12,21-22H,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyYBJTYQGBZANHJQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.41
Rot. Bonds7

About 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide

2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide (PubChem CID 108539863) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide
PubChem CID108539863
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C18H20N2O5/c1-12(25-14-8-6-13(21)7-9-14)17(23)19-10-11-20-18(24)15-4-2-3-5-16(15)22/h2-9,12,21-22H,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyYBJTYQGBZANHJQ-UHFFFAOYSA-N
XLogP1.41
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108539901
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-2-carboxamide
CID 108539927
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
CID 108539918
N-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenoxy)propanamide
CID 56983513
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
N-[2-[2-(4-phenylphenoxy)propanoylamino]ethyl]benzamide
CID 46686897
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide
CID 55659323
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide (CID 108539863) is 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide is CC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide?
The InChIKey is YBJTYQGBZANHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(25-14-8-6-13(21)7-9-14)17(23)19-10-11-20-18(24)15-4-2-3-5-16(15)22/h2-9,12,21-22H,10-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide?
2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108539863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).